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GW band structure

Posted: Fri Jan 28, 2022 10:10 am
by 8813204602
Dear Yambo developers,

I plotted the band structures after performing the convergence tests. The DFT band structure is quite correct, but in the GW band structure, as shown in the figure, in some parts especially in the conduction band, the shape of the bands are different from the DFT bands.Can you please help me to solve this problem?


Best,
Mitra Helmi

Re: GW band structure

Posted: Fri Jan 28, 2022 10:13 am
by Daniele Varsano
Dear Mitra,
can you post the ypp.in file?

Daniele

Re: GW band structure

Posted: Fri Jan 28, 2022 10:31 am
by 8813204602
Dear Daniele,

I attached the ypp.in file.

Best,
Mitra

Re: GW band structure

Posted: Fri Jan 28, 2022 10:40 am
by claudio
Dear Mitra Helmi

may you provide also the DFT input files, and the GW ones,
so I can try to reproduce your problem

best
Claudio

Re: GW band structure

Posted: Fri Jan 28, 2022 11:20 am
by 8813204602
Dear Claudio,

I attached the scf,nscf,GW input files and pseudopotentials.

Thank you very much
Mitra